尹志 (2024-09-30 23:02):
#paper https://doi.org/10.48550/arXiv.2405.20328 mRNA secondary structure prediction using utility-scale quantum computers。 这是今年IBM和Moderna合作的一篇工作。作者用CVaR-based VQE算法对mRNA的二级结构做了预测。RNA由于其单链多变的特性,非常难以预测。当然也正是这个原因,在计算上很容易被归类到组合优化问题的范畴。因此利用量子计算机去设计特定算法来加速解决,并给出最优结构显得顺理成章。文章使用了IBM的量子处理器Eagle和Heron, 得出的结果和经典算法CPLEX保持一致。当然,考虑到使用了NISQ的方式,如何保证机器的校准及错误抑制文章并没有交代的很细致,默认Eagle和Heron已经做到了吧。当然,这也给VQC算法(包括VQE、QAOA)解决组合优化问题做了一个很好的示范,充分证明了变分算法的灵活性。
arXiv, 2024-05-30T17:58:17Z. DOI: 10.48550/arXiv.2405.20328
mRNA secondary structure prediction using utility-scale quantum computers
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Abstract:
Recent advancements in quantum computing have opened new avenues for tacklinglong-standing complex combinatorial optimization problems that are intractablefor classical computers. Predicting secondary structure of mRNA is one suchnotoriously difficult problem that can benefit from the ever-increasingmaturity of quantum computing technology. Accurate prediction of mRNA secondarystructure is critical in designing RNA-based therapeutics as it dictatesvarious steps of an mRNA life cycle, including transcription, translation, anddecay. The current generation of quantum computers have reached utility-scale,allowing us to explore relatively large problem sizes. In this paper, weexamine the feasibility of solving mRNA secondary structures on a quantumcomputer with sequence length up to 60 nucleotides representing problems in thequbit range of 10 to 80. We use Conditional Value at Risk (CVaR)-based VQEalgorithm to solve the optimization problems, originating from the mRNAstructure prediction problem, on the IBM Eagle and Heron quantum processors. Toour encouragement, even with ``minimal'' error mitigation and fixed-depthcircuits, our hardware runs yield accurate predictions of minimum free energy(MFE) structures that match the results of the classical solver CPLEX. Ourresults provide sufficient evidence for the viability of solving mRNA structureprediction problems on a quantum computer and motivate continued research inthis direction.
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